Table 7. Hit compounds selected from SPECS with high score values that potentially bind with SlSCPx-2 based on its modeled 3D-structure.
Specs ID | Total Score | Specs ID | Total score | Specs ID | Total score |
AG-205/36868061 | 12.55 | AG-690/40698645 | 10.95 | AG-690/13416244 | 10.22 |
AG-205/33163045 | 12.43 | AG-690/36813509 | 10.89 | AF-399/13806043 | 10.21 |
AG-690/12890522 | 12.11 | AG-690/40699342 | 10.88 | AG-690/40750360 | 10.21 |
AH-487/42271849 | 11.63 | AG-690/36933045 | 10.88 | AG-690/12408430 | 10.19 |
AF-399/15105077 | 11.56 | AG-690/11821369 | 10.77 | AG-205/13381137 | 10.18 |
AF-339/42217087 | 11.48 | AG-670/40949132 | 10.76 | AF-399/4235635 | 10.17 |
AG-690/40696270 | 11.43 | AG-690/15440485 | 10.72 | AG-690/09289029 | 10.15 |
AH-487/41825275 | 11.41 | AE-848/13008366 | 10.68 | AG-690/40700936 | 10.13 |
AG-664/14117324* | 11.37 | AF-399/37418001 | 10.66 | AG-205/07775053 * | 10.10 |
AF-399/14183757 | 11.35 | AF-399/12153029 | 10.54 | AF-399/11380003 | 10.01 |
AG_205/40776077 | 11.34 | AF-399/40862938 | 10.53 | AH-487/40686394 | 9.92 |
AG-205/36813059* | 11.27 | AH-487/41731687* | 10.52 | AG-205/33005046 | 9.77 |
AF-399/41767570 | 11.22 | AG-690/15442177 | 10.46 | AE-399/15104011 * | 9.65 |
AG-690/12885304 | 11.20 | AG-690/15439252 | 10.43 | AG-205/36953210 | 9.31 |
AH-487/40935616 | 11.16 | AG-690/12885340 | 10.33 | AG-641/12753010 | 9.05 |
AG-690/15435898 | 11.09 | AG-205/04772018 | 10.31 | AG-690/11571027 | 8.85 |
AG-690/40696907 | 11.06 | AG-690/40696514 | 10.27 |
These compounds were selected for the in vitro competitive binding assay and bioassay.